CID 103820

(2-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methanol

Structural Information

Molecular Formula
C11H13NO2
SMILES
CC1=NC(C(O1)C2=CC=CC=C2)CO
InChI
InChI=1S/C11H13NO2/c1-8-12-10(7-13)11(14-8)9-5-3-2-4-6-9/h2-6,10-11,13H,7H2,1H3
InChIKey
NTCJMVHDZUBYNA-UHFFFAOYSA-N
Compound name
(2-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

63
Patents

191.09464 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.101916 140.0
[M+Na]+ 214.083858 148.4
[M-H]- 190.087364 145.1
[M+NH4]+ 209.128463 158.3
[M+K]+ 230.057798 146.6
[M+H-H2O]+ 174.091900 133.4
[M+HCOO]- 236.092841 161.6
[M+CH3COO]- 250.108491 179.5
[M+Na-2H]- 212.069306 145.1
[M]+ 191.09409142 140.4
[M]- 191.09518858 140.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.